3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine

C8H9BrN4O — CID 83901413

IUPAC3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine
SMILESCOc1nc(C)nc2c(Br)nn(C)c12
InChIInChI=1S/C8H9BrN4O/c1-4-10-5-6(8(11-4)14-3)13(2)12-7(5)9/h1-3H3
InChIKeyATMZCIKETLFHRQ-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.44
Rot. Bonds1

About 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine

3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine (PubChem CID 83901413) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine
PubChem CID83901413
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine
SMILESCOc1nc(C)nc2c(Br)nn(C)c12
InChIInChI=1S/C8H9BrN4O/c1-4-10-5-6(8(11-4)14-3)13(2)12-7(5)9/h1-3H3
InChIKeyATMZCIKETLFHRQ-UHFFFAOYSA-N
XLogP1.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine (CID 83901413) is 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine is COc1nc(C)nc2c(Br)nn(C)c12.
What is the InChIKey of 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine?
The InChIKey is ATMZCIKETLFHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c1-4-10-5-6(8(11-4)14-3)13(2)12-7(5)9/h1-3H3.
What are the key properties of 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine?
3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine has a molecular weight of 257.09 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methoxy-1,5-dimethylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 83901413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).